Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50094903
Substrate
n/a
Meas. Tech.
ChEBML_159301
IC50
3±n/a nM
Citation
 Lee, YS; Lee, YS; Lee, JY; Kim, SN; Lee, CK; Park, H 6-Hydroxy-1,3-dioxin-4-ones as non-peptidic HIV protease inhibitors. Bioorg Med Chem Lett 10:2625-7 (2000) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10781.16
Organism:
Human immunodeficiency virus type 1
Description:
P04585[489-587]
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM50094903
Synonyms:
5-Cyano-pyridine-2-sulfonic acid {3-[1-(6-hydroxy-4-oxo-2-phenethyl-2-propyl-4H-[1,3]dioxin-5-yl)-propyl]-phenyl}-amide | CHEMBL315121
Type:
Small organic molecule
Emp. Form.:
C30H31N3O6S
Mol. Mass.:
561.649
SMILES:
CCCC1(CCc2ccccc2)OC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C#N)c2)C(=O)O1 |(.36,-8.1,;.78,-6.63,;2.27,-6.24,;2.67,-4.74,;1.17,-4.35,;.08,-5.42,;-1.4,-5.02,;-2.49,-6.11,;-3.97,-5.72,;-4.36,-4.21,;-3.27,-3.13,;-1.79,-3.53,;4.01,-5.51,;5.35,-4.74,;6.68,-5.51,;5.35,-3.22,;6.68,-2.43,;6.67,-.89,;8,-.12,;8.01,-3.2,;8.03,-4.74,;9.36,-5.54,;10.69,-4.77,;10.72,-3.2,;12.05,-2.43,;13.38,-3.23,;12.61,-4.56,;14.73,-4,;14.15,-1.87,;13.38,-.54,;14.12,.81,;15.66,.81,;16.46,-.52,;15.71,-1.87,;16.43,2.15,;17.18,3.49,;9.36,-2.43,;4,-2.43,;4,-.89,;2.67,-3.2,)|
Structure:
Search PDB for entries with ligand similarity: